1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea

C15H22Cl2N2O2 — CID 111505680

IUPAC1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-10(5-6-20)9-18-15(21)19-11(2)7-12-3-4-13(16)8-14(12)17/h3-4,8,10-11,20H,5-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyPDUVIWRXFBKFAX-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.24
Rot. Bonds7

About 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea

1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111505680) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111505680
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-10(5-6-20)9-18-15(21)19-11(2)7-12-3-4-13(16)8-14(12)17/h3-4,8,10-11,20H,5-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyPDUVIWRXFBKFAX-UHFFFAOYSA-N
XLogP3.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380
1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111487017
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111566614
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506835

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111505680) is 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NC(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is PDUVIWRXFBKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-10(5-6-20)9-18-15(21)19-11(2)7-12-3-4-13(16)8-14(12)17/h3-4,8,10-11,20H,5-7,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 333.26 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111505680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).